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6-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]-3-phenyl-4(3H)-quinazolinone
SpectraBase Compound ID 2WBRj3iCMbM
InChI InChI=1S/C22H14Br2N2O/c23-16-6-4-5-15(13-16)9-12-21-25-20-11-10-17(24)14-19(20)22(27)26(21)18-7-2-1-3-8-18/h1-14H/b12-9+
InChIKey DSOMTECOZSRJNX-FMIVXFBMSA-N
Mol Weight 482.18 g/mol
Molecular Formula C22H14Br2N2O
Exact Mass 479.947289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GiMPAGGRkQi
Name 6-Bromo-2-[(E)-2-(3-bromophenyl)ethenyl]-3-phenyl-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 479.947289078 u
Formula C22H14Br2N2O
InChI InChI=1S/C22H14Br2N2O/c23-16-6-4-5-15(13-16)9-12-21-25-20-11-10-17(24)14-19(20)22(27)26(21)18-7-2-1-3-8-18/h1-14H/b12-9+
InChIKey DSOMTECOZSRJNX-FMIVXFBMSA-N
Molecular Weight 482.175 g/mol
SMILES C1(N(C(\C=C\C2=CC(Br)=CC=C2)=NC2=C1C=C(C=C2)Br)C=1C=CC=CC1)=O